methyl (1R,9S,10S,12R,13E,18S)-13-ethylidene-10-hydroxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate

Details

• Internal ID: dd65ee25-502d-4a57-9d1a-46e3b15c507f
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
• IUPAC Name: methyl (1R,9S,10S,12R,13E,18S)-13-ethylidene-10-hydroxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
• InChI: InChI=1S/C21H26N2O3/c1-4-13-12-23-10-9-20-15-7-5-6-8-16(15)22(2)21(20,23)17(24)11-14(13)18(20)19(25)26-3/h4-8,14,17-18,24H,9-12H2,1-3H3/b13-4-/t14-,17-,18+,20-,21-/m0/s1
• InChI Key: CFKUJHVLEYIZOQ-HGNDDYMXSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₆N₂O₃
• Molecular Weight: 354.40 g/mol
• Exact Mass: 354.19434270 g/mol
• Topological Polar Surface Area (TPSA): 53.00 Ų
• XlogP: 1.70

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.33%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.48%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.82%	86.33%
CHEMBL221	P23219	Cyclooxygenase-1	92.57%	90.17%
CHEMBL5028	O14672	ADAM10	88.60%	97.50%
CHEMBL2581	P07339	Cathepsin D	88.28%	98.95%
CHEMBL4208	P20618	Proteasome component C5	87.74%	90.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	84.03%	91.07%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	81.53%	90.24%

Plants that contains it

• Hunteria zeylanica

Cross-Links

• PubChem: 163185038
• LOTUS: LTS0131665
• wikiData: Q104956686